USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 218 LYS NZ :NH3+ 152:sc= 2.3 (180deg=0.036) USER MOD Set 1.2: A 293 CYS SG : rot 180:sc= -0.194 USER MOD Set 1.3: A 295 THR OG1 : rot -146:sc= -2.23! USER MOD Set 2.1: A 234 THR OG1 : rot 180:sc= 0.773 USER MOD Set 2.2: A 270 THR OG1 : rot -105:sc= 0.721 USER MOD Set 3.1: A 230 LYS NZ :NH3+ 179:sc= 1.25 (180deg=-0.0155) USER MOD Set 3.2: A 274 SER OG : rot 127:sc= 2.18 USER MOD Set 4.1: A 226 SER OG : rot -79:sc= 1.08 USER MOD Set 4.2: A 229 HIS :FLIP no HD1:sc= 0.893 F(o=-0.42,f=2) USER MOD Single : A 216 GLN :FLIP amide:sc= -0.452 F(o=-3!,f=-0.45) USER MOD Single : A 217 LYS NZ :NH3+ -153:sc= -0.0996 (180deg=-0.616) USER MOD Single : A 223 TYR OH : rot 180:sc= -2.8! USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.056 F(o=-1.6,f=-0.056) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ -119:sc= 1.25 (180deg=-0.214) USER MOD Single : A 249 ASN :FLIP amide:sc= -1.47 F(o=-3.2!,f=-1.5) USER MOD Single : A 251 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 255 MET CE :methyl 169:sc= 0 (180deg=-0.0858) USER MOD Single : A 256 SER OG : rot 180:sc= -0.04 USER MOD Single : A 258 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 39:sc= 0.048 USER MOD Single : A 268 LYS NZ :NH3+ -164:sc= 0.491 (180deg=0.144) USER MOD Single : A 272 THR OG1 : rot 180:sc= -0.0177 USER MOD Single : A 275 GLN : amide:sc= -3.14! C(o=-3.1!,f=-5.6!) USER MOD Single : A 276 CYS SG : rot 112:sc= -3.49! USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 284 TYR OH : rot 76:sc= 1.13 USER MOD Single : A 285 GLN :FLIP amide:sc= -13! C(o=-17!,f=-13!) USER MOD Single : A 286 CYS SG : rot 17:sc= -4.22! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.429 -3.012 -0.330 1.00 0.50 N ATOM 98 CA ALA A 214 12.362 -2.061 0.279 1.00 0.39 C ATOM 99 C ALA A 214 11.695 -1.288 1.394 1.00 0.25 C ATOM 100 O ALA A 214 12.203 -0.265 1.843 1.00 0.27 O ATOM 101 CB ALA A 214 12.907 -1.064 -0.711 1.00 0.48 C ATOM 0 HA ALA A 214 13.185 -2.663 0.664 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.592 -0.385 -0.204 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.439 -1.591 -1.503 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.085 -0.494 -1.143 1.00 0.48 H new ATOM 107 N PHE A 215 10.587 -1.783 1.874 1.00 0.25 N ATOM 108 CA PHE A 215 9.964 -1.193 3.016 1.00 0.18 C ATOM 109 C PHE A 215 10.628 -1.783 4.224 1.00 0.21 C ATOM 110 O PHE A 215 10.639 -3.004 4.395 1.00 0.28 O ATOM 111 CB PHE A 215 8.464 -1.491 3.046 1.00 0.20 C ATOM 112 CG PHE A 215 7.686 -0.918 1.872 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.312 -0.554 0.687 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.322 -0.727 1.961 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.594 -0.025 -0.363 1.00 0.46 C ATOM 116 CE2 PHE A 215 5.610 -0.196 0.912 1.00 0.31 C ATOM 117 CZ PHE A 215 6.245 0.157 -0.251 1.00 0.35 C ATOM 0 H PHE A 215 10.101 -2.593 1.489 1.00 0.25 H new ATOM 0 HA PHE A 215 10.074 -0.109 2.988 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.321 -2.571 3.068 1.00 0.20 H new ATOM 0 HB3 PHE A 215 8.046 -1.095 3.971 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.379 -0.688 0.587 1.00 0.41 H new ATOM 0 HD2 PHE A 215 5.806 -0.999 2.870 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.100 0.247 -1.278 1.00 0.46 H new ATOM 0 HE2 PHE A 215 4.543 -0.056 1.004 1.00 0.31 H new ATOM 0 HZ PHE A 215 5.683 0.576 -1.072 1.00 0.35 H new ATOM 127 N GLN A 216 11.172 -0.921 5.050 1.00 0.18 N ATOM 128 CA GLN A 216 11.772 -1.332 6.292 1.00 0.21 C ATOM 129 C GLN A 216 10.779 -2.205 7.017 1.00 0.24 C ATOM 130 O GLN A 216 11.030 -3.372 7.299 1.00 0.31 O ATOM 131 CB GLN A 216 12.077 -0.093 7.111 1.00 0.20 C ATOM 132 CG GLN A 216 13.335 -0.209 7.953 1.00 0.25 C ATOM 133 CD GLN A 216 13.702 1.086 8.654 1.00 0.30 C ATOM 134 OE1 GLN A 216 12.978 2.152 8.364 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.651 1.133 9.434 1.00 0.79 N flip ATOM 0 H GLN A 216 11.210 0.084 4.878 1.00 0.18 H new ATOM 0 HA GLN A 216 12.696 -1.886 6.125 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.178 0.759 6.439 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.231 0.116 7.766 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.196 -0.992 8.698 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.164 -0.519 7.317 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.188 0.290 9.635 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.901 2.015 9.880 1.00 0.79 H new ATOM 144 N LYS A 217 9.577 -1.687 7.106 1.00 0.20 N ATOM 145 CA LYS A 217 8.455 -2.470 7.524 1.00 0.22 C ATOM 146 C LYS A 217 7.204 -2.105 6.716 1.00 0.17 C ATOM 147 O LYS A 217 6.720 -0.992 6.832 1.00 0.17 O ATOM 148 CB LYS A 217 8.228 -2.233 8.999 1.00 0.28 C ATOM 149 CG LYS A 217 7.061 -2.997 9.538 1.00 0.36 C ATOM 150 CD LYS A 217 6.806 -2.621 10.981 1.00 0.59 C ATOM 151 CE LYS A 217 7.522 -3.557 11.938 1.00 1.26 C ATOM 152 NZ LYS A 217 7.000 -4.944 11.835 1.00 1.85 N ATOM 0 H LYS A 217 9.357 -0.715 6.890 1.00 0.20 H new ATOM 0 HA LYS A 217 8.659 -3.526 7.348 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.126 -2.514 9.549 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.069 -1.168 9.171 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.174 -2.789 8.939 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.253 -4.067 9.463 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.139 -1.598 11.155 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.735 -2.646 11.180 1.00 0.59 H new ATOM 0 HE2 LYS A 217 8.590 -3.552 11.722 1.00 1.26 H new ATOM 0 HE3 LYS A 217 7.401 -3.197 12.960 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 7.140 -5.436 12.741 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.985 -4.917 11.608 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.509 -5.452 11.084 1.00 1.85 H new ATOM 166 N LYS A 218 6.540 -3.081 6.120 1.00 0.19 N ATOM 167 CA LYS A 218 5.189 -2.833 5.622 1.00 0.20 C ATOM 168 C LYS A 218 4.207 -3.251 6.706 1.00 0.18 C ATOM 169 O LYS A 218 4.517 -4.123 7.524 1.00 0.20 O ATOM 170 CB LYS A 218 4.902 -3.547 4.277 1.00 0.31 C ATOM 171 CG LYS A 218 3.466 -3.402 3.761 1.00 0.39 C ATOM 172 CD LYS A 218 2.612 -4.594 4.144 1.00 0.96 C ATOM 173 CE LYS A 218 3.079 -5.865 3.467 1.00 1.56 C ATOM 174 NZ LYS A 218 2.496 -7.073 4.103 1.00 2.42 N ATOM 0 H LYS A 218 6.896 -4.025 5.970 1.00 0.19 H new ATOM 0 HA LYS A 218 5.079 -1.771 5.404 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.585 -3.156 3.522 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.126 -4.608 4.391 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.024 -2.492 4.166 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.478 -3.296 2.676 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.640 -4.728 5.225 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.574 -4.399 3.873 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.802 -5.839 2.413 1.00 1.56 H new ATOM 0 HE3 LYS A 218 4.167 -5.921 3.509 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.424 -7.835 3.399 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 3.106 -7.381 4.887 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.549 -6.850 4.469 1.00 2.42 H new ATOM 188 N LEU A 219 3.093 -2.540 6.784 1.00 0.16 N ATOM 189 CA LEU A 219 2.084 -2.761 7.812 1.00 0.16 C ATOM 190 C LEU A 219 1.574 -4.206 7.782 1.00 0.16 C ATOM 191 O LEU A 219 1.874 -4.963 6.862 1.00 0.17 O ATOM 192 CB LEU A 219 0.923 -1.787 7.620 1.00 0.20 C ATOM 193 CG LEU A 219 -0.024 -1.621 8.814 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.688 -0.957 9.981 1.00 1.20 C ATOM 195 CD2 LEU A 219 -1.250 -0.816 8.409 1.00 1.62 C ATOM 0 H LEU A 219 2.861 -1.789 6.134 1.00 0.16 H new ATOM 0 HA LEU A 219 2.542 -2.585 8.785 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.334 -0.809 7.370 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.338 -2.116 6.761 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.348 -2.611 9.134 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.004 -0.850 10.816 1.00 1.20 H new ATOM 0 HD12 LEU A 219 1.535 -1.571 10.288 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.045 0.027 9.677 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.913 -0.706 9.267 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.940 0.170 8.062 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.777 -1.334 7.607 1.00 1.62 H new ATOM 207 N GLU A 220 0.853 -4.590 8.821 1.00 0.17 N ATOM 208 CA GLU A 220 0.307 -5.938 8.950 1.00 0.20 C ATOM 209 C GLU A 220 -0.357 -6.416 7.654 1.00 0.19 C ATOM 210 O GLU A 220 -0.947 -5.621 6.922 1.00 0.19 O ATOM 211 CB GLU A 220 -0.732 -5.931 10.061 1.00 0.23 C ATOM 212 CG GLU A 220 -1.773 -4.829 9.887 1.00 0.24 C ATOM 213 CD GLU A 220 -2.804 -4.824 10.994 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.797 -5.760 11.821 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.629 -3.889 11.045 1.00 1.12 O ATOM 0 H GLU A 220 0.627 -3.977 9.604 1.00 0.17 H new ATOM 0 HA GLU A 220 1.128 -6.619 9.175 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.234 -6.898 10.089 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.231 -5.804 11.021 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.272 -3.862 9.858 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.275 -4.957 8.928 1.00 0.24 H new ATOM 222 N PRO A 221 -0.234 -7.720 7.332 1.00 0.22 N ATOM 223 CA PRO A 221 -0.788 -8.312 6.098 1.00 0.23 C ATOM 224 C PRO A 221 -2.315 -8.314 6.048 1.00 0.20 C ATOM 225 O PRO A 221 -2.902 -9.127 5.348 1.00 0.19 O ATOM 226 CB PRO A 221 -0.266 -9.753 6.114 1.00 0.29 C ATOM 227 CG PRO A 221 0.856 -9.751 7.094 1.00 0.57 C ATOM 228 CD PRO A 221 0.494 -8.723 8.123 1.00 0.26 C ATOM 0 HA PRO A 221 -0.484 -7.733 5.226 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.048 -10.452 6.412 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.075 -10.059 5.125 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.980 -10.734 7.549 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.800 -9.503 6.608 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.126 -9.143 8.915 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.377 -8.299 8.601 1.00 0.26 H new ATOM 236 N ALA A 222 -2.931 -7.304 6.638 1.00 0.20 N ATOM 237 CA ALA A 222 -4.367 -7.112 6.544 1.00 0.19 C ATOM 238 C ALA A 222 -4.717 -5.661 6.818 1.00 0.15 C ATOM 239 O ALA A 222 -5.035 -5.284 7.948 1.00 0.17 O ATOM 240 CB ALA A 222 -5.113 -8.023 7.504 1.00 0.24 C ATOM 0 H ALA A 222 -2.451 -6.596 7.194 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.676 -7.371 5.531 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.185 -7.853 7.408 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.888 -9.063 7.268 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.802 -7.807 8.526 1.00 0.24 H new ATOM 246 N TYR A 223 -4.687 -4.859 5.767 1.00 0.12 N ATOM 247 CA TYR A 223 -5.054 -3.453 5.869 1.00 0.11 C ATOM 248 C TYR A 223 -6.568 -3.340 5.888 1.00 0.13 C ATOM 249 O TYR A 223 -7.243 -4.094 5.201 1.00 0.17 O ATOM 250 CB TYR A 223 -4.505 -2.657 4.682 1.00 0.12 C ATOM 251 CG TYR A 223 -3.012 -2.419 4.692 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.153 -3.412 5.132 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.458 -1.207 4.297 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.791 -3.210 5.177 1.00 0.18 C ATOM 255 CE2 TYR A 223 -1.091 -1.000 4.344 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.275 -1.954 4.636 1.00 0.16 C ATOM 257 OH TYR A 223 1.092 -1.820 4.841 1.00 0.21 O ATOM 0 H TYR A 223 -4.412 -5.156 4.831 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.628 -3.045 6.786 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.765 -3.182 3.763 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -5.009 -1.691 4.651 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.558 -4.363 5.446 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -3.104 -0.415 3.948 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.129 -3.953 5.597 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.699 -0.017 4.131 1.00 0.20 H new ATOM 0 HH TYR A 223 1.397 -0.968 4.464 1.00 0.21 H new ATOM 267 N GLN A 224 -7.106 -2.459 6.716 1.00 0.15 N ATOM 268 CA GLN A 224 -8.550 -2.328 6.830 1.00 0.18 C ATOM 269 C GLN A 224 -9.023 -0.967 6.333 1.00 0.17 C ATOM 270 O GLN A 224 -8.880 0.039 7.030 1.00 0.22 O ATOM 271 CB GLN A 224 -8.989 -2.535 8.280 1.00 0.26 C ATOM 272 CG GLN A 224 -8.689 -3.925 8.812 1.00 0.34 C ATOM 273 CD GLN A 224 -9.129 -4.098 10.249 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.624 -3.434 11.153 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.085 -4.982 10.469 1.00 0.99 N ATOM 0 H GLN A 224 -6.571 -1.829 7.314 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.005 -3.096 6.204 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.491 -1.798 8.910 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.060 -2.349 8.357 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.191 -4.666 8.189 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.619 -4.117 8.737 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.478 -5.513 9.691 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.431 -5.134 11.416 1.00 0.99 H new ATOM 284 N VAL A 225 -9.595 -0.938 5.132 1.00 0.16 N ATOM 285 CA VAL A 225 -10.129 0.292 4.574 1.00 0.18 C ATOM 286 C VAL A 225 -11.256 0.813 5.432 1.00 0.24 C ATOM 287 O VAL A 225 -12.261 0.138 5.581 1.00 0.30 O ATOM 288 CB VAL A 225 -10.731 0.103 3.167 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.975 1.453 2.507 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.871 -0.783 2.292 1.00 0.77 C ATOM 0 H VAL A 225 -9.699 -1.755 4.530 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.283 0.978 4.530 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.688 -0.405 3.286 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.400 1.301 1.515 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.669 2.035 3.114 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.031 1.991 2.419 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.335 -0.887 1.311 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.883 -0.335 2.180 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.774 -1.766 2.753 1.00 0.77 H new ATOM 300 N SER A 226 -11.238 2.092 5.700 1.00 0.26 N ATOM 301 CA SER A 226 -12.449 2.724 6.158 1.00 0.33 C ATOM 302 C SER A 226 -13.257 3.055 4.903 1.00 0.32 C ATOM 303 O SER A 226 -12.768 3.785 4.039 1.00 0.32 O ATOM 304 CB SER A 226 -12.129 3.973 6.973 1.00 0.42 C ATOM 305 OG SER A 226 -13.274 4.467 7.643 1.00 1.20 O ATOM 0 H SER A 226 -10.425 2.702 5.613 1.00 0.26 H new ATOM 0 HA SER A 226 -13.020 2.072 6.819 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.352 3.743 7.702 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.731 4.745 6.315 1.00 0.42 H new ATOM 0 HG SER A 226 -13.827 4.975 7.014 1.00 1.20 H new ATOM 311 N LYS A 227 -14.277 2.241 4.659 1.00 0.34 N ATOM 312 CA LYS A 227 -14.937 2.170 3.352 1.00 0.37 C ATOM 313 C LYS A 227 -15.218 3.544 2.746 1.00 0.42 C ATOM 314 O LYS A 227 -15.885 4.390 3.345 1.00 0.48 O ATOM 315 CB LYS A 227 -16.249 1.368 3.443 1.00 0.44 C ATOM 316 CG LYS A 227 -17.381 2.094 4.153 1.00 0.95 C ATOM 317 CD LYS A 227 -18.675 2.063 3.353 1.00 0.93 C ATOM 318 CE LYS A 227 -19.219 0.653 3.201 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.561 0.646 2.566 1.00 1.54 N ATOM 0 H LYS A 227 -14.673 1.611 5.357 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.237 1.660 2.690 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.574 1.111 2.435 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.052 0.430 3.963 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.548 1.637 5.128 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.091 3.129 4.331 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.420 2.688 3.846 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.501 2.492 2.366 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.529 0.060 2.600 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.278 0.178 4.180 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.899 -0.334 2.479 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.225 1.191 3.152 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.500 1.076 1.621 1.00 1.54 H new ATOM 333 N GLY A 228 -14.706 3.748 1.538 1.00 0.46 N ATOM 334 CA GLY A 228 -14.942 4.986 0.812 1.00 0.57 C ATOM 335 C GLY A 228 -14.255 6.182 1.437 1.00 0.57 C ATOM 336 O GLY A 228 -14.218 7.259 0.848 1.00 0.70 O ATOM 0 H GLY A 228 -14.125 3.071 1.042 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.594 4.870 -0.214 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -16.015 5.174 0.766 1.00 0.57 H new ATOM 340 N HIS A 229 -13.647 5.973 2.596 1.00 0.47 N ATOM 341 CA HIS A 229 -12.914 7.027 3.279 1.00 0.53 C ATOM 342 C HIS A 229 -11.497 7.091 2.744 1.00 0.54 C ATOM 343 O HIS A 229 -10.694 7.913 3.185 1.00 1.02 O ATOM 344 CB HIS A 229 -12.906 6.787 4.789 1.00 0.55 C ATOM 345 CG HIS A 229 -14.246 6.981 5.437 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.107 6.086 5.969 1.00 1.94 N flip ATOM 347 CD2 HIS A 229 -14.845 8.213 5.581 1.00 2.31 C flip ATOM 348 CE1 HIS A 229 -16.197 6.782 6.420 1.00 2.66 C flip ATOM 349 NE2 HIS A 229 -16.014 8.065 6.175 1.00 2.89 N flip ATOM 0 H HIS A 229 -13.648 5.078 3.084 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.409 7.980 3.092 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.561 5.772 4.985 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.187 7.463 5.252 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -14.424 9.153 5.258 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.064 6.351 6.898 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -16.665 8.815 6.406 1.00 2.89 H new ATOM 358 N LYS A 230 -11.219 6.202 1.786 1.00 0.30 N ATOM 359 CA LYS A 230 -9.918 6.116 1.121 1.00 0.28 C ATOM 360 C LYS A 230 -8.864 5.560 2.085 1.00 0.24 C ATOM 361 O LYS A 230 -8.449 6.253 3.015 1.00 0.28 O ATOM 362 CB LYS A 230 -9.472 7.500 0.617 1.00 0.36 C ATOM 363 CG LYS A 230 -10.445 8.154 -0.354 1.00 1.00 C ATOM 364 CD LYS A 230 -10.569 9.651 -0.102 1.00 1.23 C ATOM 365 CE LYS A 230 -9.242 10.379 -0.268 1.00 1.65 C ATOM 366 NZ LYS A 230 -8.890 10.601 -1.694 1.00 2.24 N ATOM 0 H LYS A 230 -11.896 5.518 1.449 1.00 0.30 H new ATOM 0 HA LYS A 230 -10.018 5.444 0.268 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -9.333 8.159 1.474 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.502 7.402 0.130 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.109 7.983 -1.377 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -11.425 7.686 -0.258 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -11.301 10.073 -0.791 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -10.948 9.817 0.907 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.292 11.340 0.245 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.452 9.802 0.212 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -7.988 11.114 -1.753 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -8.799 9.684 -2.176 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -9.637 11.160 -2.153 1.00 2.24 H new ATOM 380 N ILE A 231 -8.471 4.297 1.918 1.00 0.20 N ATOM 381 CA ILE A 231 -7.514 3.708 2.866 1.00 0.17 C ATOM 382 C ILE A 231 -6.063 4.015 2.471 1.00 0.16 C ATOM 383 O ILE A 231 -5.666 3.859 1.320 1.00 0.17 O ATOM 384 CB ILE A 231 -7.680 2.173 3.015 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.645 1.628 4.015 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.521 1.483 1.671 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.646 0.122 4.163 1.00 0.19 C ATOM 0 H ILE A 231 -8.783 3.680 1.168 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.737 4.172 3.827 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.683 1.968 3.390 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.652 1.949 3.701 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.831 2.076 4.991 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.641 0.407 1.798 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.278 1.854 0.980 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.530 1.693 1.269 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.886 -0.173 4.887 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.625 -0.209 4.510 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.427 -0.338 3.199 1.00 0.19 H new ATOM 399 N ARG A 232 -5.275 4.433 3.451 1.00 0.17 N ATOM 400 CA ARG A 232 -3.860 4.729 3.251 1.00 0.17 C ATOM 401 C ARG A 232 -3.022 3.496 3.595 1.00 0.15 C ATOM 402 O ARG A 232 -3.332 2.794 4.561 1.00 0.19 O ATOM 403 CB ARG A 232 -3.457 5.900 4.148 1.00 0.22 C ATOM 404 CG ARG A 232 -4.345 7.126 4.004 1.00 0.34 C ATOM 405 CD ARG A 232 -4.054 8.145 5.091 1.00 0.77 C ATOM 406 NE ARG A 232 -2.771 8.825 4.900 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.071 9.375 5.898 1.00 2.13 C ATOM 408 NH1 ARG A 232 -2.446 9.187 7.156 1.00 2.48 N ATOM 409 NH2 ARG A 232 -0.984 10.090 5.639 1.00 3.14 N ATOM 0 H ARG A 232 -5.597 4.577 4.408 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.686 4.996 2.209 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.476 5.571 5.187 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.429 6.181 3.921 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.188 7.579 3.025 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.392 6.828 4.052 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -4.853 8.886 5.112 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.055 7.647 6.060 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.391 8.882 3.955 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -3.270 8.622 7.364 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -1.911 9.607 7.916 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -0.678 10.222 4.675 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -0.454 10.507 6.404 1.00 3.14 H new ATOM 423 N LEU A 233 -1.973 3.206 2.817 1.00 0.13 N ATOM 424 CA LEU A 233 -1.160 2.040 3.088 1.00 0.14 C ATOM 425 C LEU A 233 0.147 2.487 3.721 1.00 0.13 C ATOM 426 O LEU A 233 1.050 2.946 3.028 1.00 0.13 O ATOM 427 CB LEU A 233 -0.917 1.255 1.787 1.00 0.15 C ATOM 428 CG LEU A 233 -2.034 0.275 1.370 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.386 0.967 1.268 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.697 -0.391 0.049 1.00 0.23 C ATOM 0 H LEU A 233 -1.680 3.758 2.011 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.674 1.375 3.782 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.767 1.969 0.978 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.011 0.693 1.893 1.00 0.15 H new ATOM 0 HG LEU A 233 -2.101 -0.484 2.149 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -4.144 0.242 0.972 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.650 1.394 2.235 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.333 1.761 0.523 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.497 -1.078 -0.227 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.589 0.369 -0.725 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.763 -0.944 0.148 1.00 0.23 H new ATOM 442 N THR A 234 0.174 2.501 5.049 1.00 0.14 N ATOM 443 CA THR A 234 1.303 3.049 5.783 1.00 0.16 C ATOM 444 C THR A 234 2.346 1.987 6.095 1.00 0.16 C ATOM 445 O THR A 234 2.016 0.859 6.463 1.00 0.22 O ATOM 446 CB THR A 234 0.844 3.731 7.085 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.077 4.786 6.773 1.00 0.33 O ATOM 448 CG2 THR A 234 2.030 4.300 7.851 1.00 0.24 C ATOM 0 H THR A 234 -0.576 2.138 5.638 1.00 0.14 H new ATOM 0 HA THR A 234 1.763 3.797 5.137 1.00 0.16 H new ATOM 0 HB THR A 234 0.356 2.985 7.712 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.371 5.219 7.601 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.678 4.776 8.766 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.720 3.495 8.103 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.543 5.037 7.233 1.00 0.24 H new ATOM 456 N VAL A 235 3.596 2.343 5.855 1.00 0.14 N ATOM 457 CA VAL A 235 4.723 1.444 6.024 1.00 0.14 C ATOM 458 C VAL A 235 5.927 2.227 6.517 1.00 0.14 C ATOM 459 O VAL A 235 6.076 3.391 6.182 1.00 0.16 O ATOM 460 CB VAL A 235 5.094 0.782 4.683 1.00 0.14 C ATOM 461 CG1 VAL A 235 3.921 0.005 4.132 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.525 1.839 3.691 1.00 0.14 C ATOM 0 H VAL A 235 3.859 3.275 5.534 1.00 0.14 H new ATOM 0 HA VAL A 235 4.443 0.676 6.745 1.00 0.14 H new ATOM 0 HB VAL A 235 5.919 0.090 4.852 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.202 -0.455 3.185 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.633 -0.771 4.841 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.080 0.680 3.972 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.786 1.365 2.745 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.708 2.543 3.531 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.392 2.372 4.081 1.00 0.14 H new ATOM 472 N GLU A 236 6.873 1.546 7.118 1.00 0.13 N ATOM 473 CA GLU A 236 8.154 2.154 7.383 1.00 0.13 C ATOM 474 C GLU A 236 9.066 1.809 6.216 1.00 0.13 C ATOM 475 O GLU A 236 9.186 0.646 5.859 1.00 0.17 O ATOM 476 CB GLU A 236 8.748 1.636 8.697 1.00 0.18 C ATOM 477 CG GLU A 236 9.793 2.570 9.287 1.00 0.29 C ATOM 478 CD GLU A 236 10.171 2.203 10.706 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.536 1.035 10.947 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.102 3.082 11.591 1.00 1.05 O ATOM 0 H GLU A 236 6.782 0.579 7.430 1.00 0.13 H new ATOM 0 HA GLU A 236 8.045 3.234 7.485 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.946 1.494 9.421 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.198 0.658 8.525 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.685 2.551 8.661 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.413 3.591 9.269 1.00 0.29 H new ATOM 487 N LEU A 237 9.563 2.807 5.514 1.00 0.13 N ATOM 488 CA LEU A 237 10.346 2.556 4.311 1.00 0.15 C ATOM 489 C LEU A 237 11.819 2.430 4.643 1.00 0.17 C ATOM 490 O LEU A 237 12.310 3.104 5.538 1.00 0.19 O ATOM 491 CB LEU A 237 10.156 3.676 3.291 1.00 0.17 C ATOM 492 CG LEU A 237 9.568 3.252 1.946 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.348 4.465 1.071 1.00 0.44 C ATOM 494 CD2 LEU A 237 10.475 2.257 1.245 1.00 0.55 C ATOM 0 H LEU A 237 9.443 3.792 5.749 1.00 0.13 H new ATOM 0 HA LEU A 237 9.992 1.619 3.882 1.00 0.15 H new ATOM 0 HB2 LEU A 237 9.507 4.435 3.728 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.122 4.148 3.112 1.00 0.17 H new ATOM 0 HG LEU A 237 8.610 2.766 2.130 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.929 4.153 0.115 1.00 0.44 H new ATOM 0 HD12 LEU A 237 8.657 5.149 1.564 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.299 4.969 0.903 1.00 0.44 H new ATOM 0 HD21 LEU A 237 10.033 1.972 0.290 1.00 0.55 H new ATOM 0 HD22 LEU A 237 11.450 2.713 1.072 1.00 0.55 H new ATOM 0 HD23 LEU A 237 10.594 1.371 1.869 1.00 0.55 H new ATOM 506 N ALA A 238 12.528 1.615 3.875 1.00 0.19 N ATOM 507 CA ALA A 238 13.974 1.510 3.998 1.00 0.21 C ATOM 508 C ALA A 238 14.628 2.568 3.124 1.00 0.23 C ATOM 509 O ALA A 238 15.685 3.107 3.448 1.00 0.28 O ATOM 510 CB ALA A 238 14.444 0.127 3.592 1.00 0.25 C ATOM 0 H ALA A 238 12.123 1.014 3.157 1.00 0.19 H new ATOM 0 HA ALA A 238 14.258 1.672 5.038 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.528 0.068 3.691 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.980 -0.619 4.237 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.163 -0.063 2.556 1.00 0.25 H new ATOM 516 N ASP A 239 13.958 2.869 2.019 1.00 0.22 N ATOM 517 CA ASP A 239 14.420 3.885 1.073 1.00 0.25 C ATOM 518 C ASP A 239 14.094 5.276 1.582 1.00 0.25 C ATOM 519 O ASP A 239 14.837 6.227 1.349 1.00 0.34 O ATOM 520 CB ASP A 239 13.772 3.692 -0.295 1.00 0.31 C ATOM 521 CG ASP A 239 14.405 2.573 -1.103 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.118 1.737 -0.506 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.194 2.520 -2.331 1.00 1.19 O ATOM 0 H ASP A 239 13.082 2.420 1.751 1.00 0.22 H new ATOM 0 HA ASP A 239 15.500 3.776 0.976 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.711 3.480 -0.161 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.842 4.623 -0.858 1.00 0.31 H new ATOM 528 N HIS A 240 12.942 5.372 2.244 1.00 0.27 N ATOM 529 CA HIS A 240 12.437 6.620 2.825 1.00 0.39 C ATOM 530 C HIS A 240 11.866 7.538 1.749 1.00 0.47 C ATOM 531 O HIS A 240 10.648 7.654 1.599 1.00 0.70 O ATOM 532 CB HIS A 240 13.526 7.373 3.616 1.00 0.46 C ATOM 533 CG HIS A 240 14.160 6.579 4.720 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.092 5.259 5.016 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.993 7.138 5.665 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.876 5.049 6.122 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.408 6.197 6.492 1.00 0.48 N flip ATOM 0 H HIS A 240 12.323 4.576 2.395 1.00 0.27 H new ATOM 0 HA HIS A 240 11.643 6.339 3.517 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.304 7.692 2.923 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.088 8.276 4.041 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.557 4.553 4.511 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.264 8.182 5.720 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.032 4.098 6.610 1.00 0.57 H new ATOM 546 N ASP A 241 12.746 8.182 1.000 1.00 0.41 N ATOM 547 CA ASP A 241 12.328 9.153 -0.006 1.00 0.51 C ATOM 548 C ASP A 241 12.348 8.563 -1.400 1.00 0.44 C ATOM 549 O ASP A 241 12.701 9.230 -2.369 1.00 0.78 O ATOM 550 CB ASP A 241 13.206 10.406 0.047 1.00 0.80 C ATOM 551 CG ASP A 241 12.886 11.308 1.225 1.00 1.53 C ATOM 552 OD1 ASP A 241 11.982 10.975 2.015 1.00 2.22 O ATOM 553 OD2 ASP A 241 13.538 12.369 1.360 1.00 2.08 O ATOM 0 H ASP A 241 13.755 8.052 1.067 1.00 0.41 H new ATOM 0 HA ASP A 241 11.300 9.432 0.226 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.253 10.107 0.100 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.082 10.969 -0.878 1.00 0.80 H new ATOM 558 N ALA A 242 11.870 7.346 -1.506 1.00 0.33 N ATOM 559 CA ALA A 242 11.745 6.693 -2.792 1.00 0.30 C ATOM 560 C ALA A 242 10.291 6.598 -3.210 1.00 0.24 C ATOM 561 O ALA A 242 9.403 6.444 -2.365 1.00 0.28 O ATOM 562 CB ALA A 242 12.356 5.317 -2.731 1.00 0.38 C ATOM 0 H ALA A 242 11.559 6.784 -0.714 1.00 0.33 H new ATOM 0 HA ALA A 242 12.276 7.289 -3.534 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.258 4.832 -3.702 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.411 5.399 -2.471 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.841 4.723 -1.976 1.00 0.38 H new ATOM 568 N GLU A 243 10.057 6.631 -4.511 1.00 0.26 N ATOM 569 CA GLU A 243 8.719 6.461 -5.038 1.00 0.30 C ATOM 570 C GLU A 243 8.288 5.021 -4.824 1.00 0.25 C ATOM 571 O GLU A 243 8.928 4.092 -5.318 1.00 0.25 O ATOM 572 CB GLU A 243 8.685 6.793 -6.531 1.00 0.39 C ATOM 573 CG GLU A 243 9.234 8.169 -6.866 1.00 0.67 C ATOM 574 CD GLU A 243 9.274 8.421 -8.357 1.00 1.10 C ATOM 575 OE1 GLU A 243 9.927 7.636 -9.082 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.653 9.403 -8.815 1.00 1.56 O ATOM 0 H GLU A 243 10.777 6.774 -5.219 1.00 0.26 H new ATOM 0 HA GLU A 243 8.039 7.137 -4.520 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.258 6.041 -7.074 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.656 6.727 -6.885 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.618 8.930 -6.387 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.239 8.267 -6.456 1.00 0.67 H new ATOM 583 N VAL A 244 7.225 4.831 -4.065 1.00 0.24 N ATOM 584 CA VAL A 244 6.748 3.494 -3.784 1.00 0.21 C ATOM 585 C VAL A 244 5.631 3.110 -4.733 1.00 0.20 C ATOM 586 O VAL A 244 4.655 3.844 -4.895 1.00 0.23 O ATOM 587 CB VAL A 244 6.280 3.327 -2.319 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.470 3.435 -1.377 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.184 4.344 -1.951 1.00 0.27 C ATOM 0 H VAL A 244 6.681 5.580 -3.636 1.00 0.24 H new ATOM 0 HA VAL A 244 7.594 2.824 -3.935 1.00 0.21 H new ATOM 0 HB VAL A 244 5.840 2.335 -2.214 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.131 3.316 -0.348 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.193 2.654 -1.613 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.939 4.412 -1.494 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.882 4.194 -0.914 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.570 5.356 -2.074 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.323 4.203 -2.604 1.00 0.27 H new ATOM 599 N LYS A 245 5.748 1.931 -5.304 1.00 0.18 N ATOM 600 CA LYS A 245 4.702 1.401 -6.150 1.00 0.19 C ATOM 601 C LYS A 245 4.104 0.187 -5.473 1.00 0.15 C ATOM 602 O LYS A 245 4.710 -0.390 -4.580 1.00 0.16 O ATOM 603 CB LYS A 245 5.235 1.077 -7.547 1.00 0.30 C ATOM 604 CG LYS A 245 5.500 2.329 -8.372 1.00 0.89 C ATOM 605 CD LYS A 245 5.923 2.006 -9.796 1.00 1.51 C ATOM 606 CE LYS A 245 7.367 1.536 -9.872 1.00 2.00 C ATOM 607 NZ LYS A 245 7.827 1.405 -11.282 1.00 2.79 N ATOM 0 H LYS A 245 6.558 1.321 -5.197 1.00 0.18 H new ATOM 0 HA LYS A 245 3.921 2.149 -6.288 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.157 0.503 -7.457 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.516 0.446 -8.070 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.600 2.944 -8.394 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.278 2.920 -7.890 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.269 1.234 -10.201 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.797 2.890 -10.420 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.008 2.241 -9.344 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.465 0.576 -9.366 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 8.816 1.083 -11.296 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 7.230 0.713 -11.779 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 7.757 2.327 -11.757 1.00 2.79 H new ATOM 621 N TRP A 246 2.835 -0.025 -5.655 1.00 0.14 N ATOM 622 CA TRP A 246 2.164 -1.026 -4.857 1.00 0.13 C ATOM 623 C TRP A 246 1.457 -1.991 -5.773 1.00 0.14 C ATOM 624 O TRP A 246 1.617 -1.926 -6.977 1.00 0.14 O ATOM 625 CB TRP A 246 1.234 -0.391 -3.798 1.00 0.14 C ATOM 626 CG TRP A 246 1.982 0.504 -2.826 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.740 1.590 -3.158 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.064 0.406 -1.383 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.290 2.149 -2.043 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.893 1.461 -0.948 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.531 -0.451 -0.410 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.198 1.683 0.389 1.00 0.14 C ATOM 633 CZ3 TRP A 246 1.843 -0.214 0.928 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.668 0.845 1.302 1.00 0.15 C ATOM 0 H TRP A 246 2.248 0.465 -6.331 1.00 0.14 H new ATOM 0 HA TRP A 246 2.900 -1.587 -4.281 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.461 0.190 -4.300 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.728 -1.181 -3.243 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.884 1.955 -4.164 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.906 2.962 -2.035 1.00 0.15 H new ATOM 0 HE3 TRP A 246 0.893 -1.276 -0.691 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.839 2.500 0.687 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 1.437 -0.864 1.689 1.00 0.15 H new ATOM 0 HH2 TRP A 246 2.888 0.998 2.348 1.00 0.15 H new ATOM 645 N LEU A 247 1.011 -3.071 -5.240 1.00 0.15 N ATOM 646 CA LEU A 247 0.532 -4.144 -6.067 1.00 0.14 C ATOM 647 C LEU A 247 -0.861 -4.524 -5.596 1.00 0.15 C ATOM 648 O LEU A 247 -1.084 -4.643 -4.416 1.00 0.16 O ATOM 649 CB LEU A 247 1.506 -5.327 -5.932 1.00 0.15 C ATOM 650 CG LEU A 247 2.403 -5.695 -7.123 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.774 -6.814 -7.935 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.700 -4.494 -7.999 1.00 0.17 C ATOM 0 H LEU A 247 0.963 -3.245 -4.236 1.00 0.15 H new ATOM 0 HA LEU A 247 0.479 -3.851 -7.115 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.156 -5.122 -5.082 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.918 -6.209 -5.678 1.00 0.15 H new ATOM 0 HG LEU A 247 3.355 -6.045 -6.723 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.422 -7.063 -8.775 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.645 -7.693 -7.304 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.803 -6.490 -8.310 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.337 -4.798 -8.829 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.766 -4.088 -8.388 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.210 -3.732 -7.410 1.00 0.17 H new ATOM 664 N LYS A 248 -1.751 -4.843 -6.493 1.00 0.19 N ATOM 665 CA LYS A 248 -2.997 -5.466 -6.090 1.00 0.25 C ATOM 666 C LYS A 248 -2.815 -6.941 -6.366 1.00 0.25 C ATOM 667 O LYS A 248 -1.907 -7.268 -7.120 1.00 0.21 O ATOM 668 CB LYS A 248 -4.189 -4.911 -6.874 1.00 0.34 C ATOM 669 CG LYS A 248 -5.533 -5.429 -6.393 1.00 0.77 C ATOM 670 CD LYS A 248 -6.676 -4.690 -7.064 1.00 0.95 C ATOM 671 CE LYS A 248 -8.021 -5.063 -6.462 1.00 1.57 C ATOM 672 NZ LYS A 248 -9.128 -4.280 -7.067 1.00 2.06 N ATOM 0 H LYS A 248 -1.648 -4.688 -7.496 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.214 -5.268 -5.040 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.183 -3.823 -6.804 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -4.069 -5.164 -7.927 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.612 -6.495 -6.604 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.605 -5.312 -5.312 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.520 -3.616 -6.968 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.679 -4.917 -8.130 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.204 -6.127 -6.611 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.999 -4.891 -5.386 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.598 -3.717 -6.330 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.746 -3.645 -7.797 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -9.817 -4.929 -7.499 1.00 2.06 H new ATOM 686 N ASN A 249 -3.439 -7.828 -5.594 1.00 0.34 N ATOM 687 CA ASN A 249 -3.119 -9.255 -5.723 1.00 0.40 C ATOM 688 C ASN A 249 -3.034 -9.656 -7.200 1.00 0.35 C ATOM 689 O ASN A 249 -3.987 -9.479 -7.960 1.00 0.35 O ATOM 690 CB ASN A 249 -4.102 -10.157 -4.942 1.00 0.61 C ATOM 691 CG ASN A 249 -5.557 -10.078 -5.388 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.432 -9.705 -4.473 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.903 -10.390 -6.526 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.146 -7.600 -4.895 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.140 -9.411 -5.269 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.768 -11.191 -5.030 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.049 -9.894 -3.886 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.204 -10.674 -7.212 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.889 -10.365 -6.784 1.00 1.19 H new ATOM 700 N GLY A 250 -1.804 -9.928 -7.637 1.00 0.35 N ATOM 701 CA GLY A 250 -1.528 -10.143 -9.050 1.00 0.35 C ATOM 702 C GLY A 250 -1.361 -8.853 -9.856 1.00 0.33 C ATOM 703 O GLY A 250 -0.429 -8.740 -10.659 1.00 0.39 O ATOM 0 H GLY A 250 -0.987 -10.004 -7.031 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.620 -10.739 -9.146 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.340 -10.727 -9.483 1.00 0.35 H new ATOM 707 N GLN A 251 -2.278 -7.903 -9.686 1.00 0.30 N ATOM 708 CA GLN A 251 -2.252 -6.658 -10.457 1.00 0.36 C ATOM 709 C GLN A 251 -1.125 -5.741 -9.995 1.00 0.25 C ATOM 710 O GLN A 251 -0.913 -5.549 -8.807 1.00 0.28 O ATOM 711 CB GLN A 251 -3.588 -5.926 -10.350 1.00 0.52 C ATOM 712 CG GLN A 251 -3.643 -4.638 -11.158 1.00 1.28 C ATOM 713 CD GLN A 251 -5.032 -4.033 -11.215 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.648 -3.742 -10.189 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.529 -3.834 -12.423 1.00 2.59 N ATOM 0 H GLN A 251 -3.049 -7.970 -9.022 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.074 -6.925 -11.499 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.385 -6.590 -10.686 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.784 -5.697 -9.303 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -2.955 -3.913 -10.723 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.298 -4.837 -12.172 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.985 -4.090 -13.247 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.457 -3.425 -12.532 1.00 2.59 H new ATOM 724 N GLU A 252 -0.414 -5.161 -10.933 1.00 0.26 N ATOM 725 CA GLU A 252 0.692 -4.281 -10.595 1.00 0.25 C ATOM 726 C GLU A 252 0.259 -2.819 -10.578 1.00 0.27 C ATOM 727 O GLU A 252 -0.499 -2.374 -11.442 1.00 0.32 O ATOM 728 CB GLU A 252 1.859 -4.538 -11.537 1.00 0.32 C ATOM 729 CG GLU A 252 2.433 -5.932 -11.344 1.00 0.60 C ATOM 730 CD GLU A 252 3.506 -6.284 -12.348 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.448 -5.482 -12.511 1.00 1.60 O ATOM 732 OE2 GLU A 252 3.409 -7.349 -12.990 1.00 1.49 O ATOM 0 H GLU A 252 -0.576 -5.278 -11.933 1.00 0.26 H new ATOM 0 HA GLU A 252 1.027 -4.503 -9.582 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.528 -4.419 -12.569 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.638 -3.795 -11.364 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.847 -6.010 -10.339 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.626 -6.662 -11.414 1.00 0.60 H new ATOM 739 N ILE A 253 0.546 -2.169 -9.456 1.00 0.23 N ATOM 740 CA ILE A 253 0.023 -0.846 -9.156 1.00 0.27 C ATOM 741 C ILE A 253 1.140 0.215 -9.083 1.00 0.28 C ATOM 742 O ILE A 253 2.099 0.091 -8.313 1.00 0.28 O ATOM 743 CB ILE A 253 -0.774 -0.942 -7.830 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.215 -1.364 -8.089 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.716 0.321 -6.999 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.944 -1.763 -6.827 1.00 0.33 C ATOM 0 H ILE A 253 1.151 -2.548 -8.727 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.635 -0.518 -9.961 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.284 -1.714 -7.237 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.749 -0.543 -8.567 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.224 -2.200 -8.788 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.295 0.183 -6.086 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.320 0.540 -6.742 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.131 1.152 -7.570 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.965 -2.054 -7.073 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.430 -2.603 -6.360 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.963 -0.920 -6.136 1.00 0.33 H new ATOM 758 N GLN A 254 0.990 1.288 -9.839 1.00 0.36 N ATOM 759 CA GLN A 254 1.949 2.378 -9.781 1.00 0.43 C ATOM 760 C GLN A 254 1.553 3.367 -8.685 1.00 0.61 C ATOM 761 O GLN A 254 1.248 2.971 -7.561 1.00 1.42 O ATOM 762 CB GLN A 254 2.059 3.086 -11.135 1.00 0.70 C ATOM 763 CG GLN A 254 2.572 2.194 -12.253 1.00 1.00 C ATOM 764 CD GLN A 254 2.938 2.984 -13.494 1.00 1.75 C ATOM 765 OE1 GLN A 254 3.813 3.851 -13.458 1.00 2.63 O ATOM 766 NE2 GLN A 254 2.284 2.683 -14.603 1.00 2.21 N ATOM 0 H GLN A 254 0.221 1.428 -10.495 1.00 0.36 H new ATOM 0 HA GLN A 254 2.928 1.963 -9.542 1.00 0.43 H new ATOM 0 HB2 GLN A 254 1.079 3.473 -11.413 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.724 3.944 -11.033 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.446 1.643 -11.904 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.810 1.456 -12.505 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.566 1.958 -14.591 1.00 2.21 H new ATOM 0 HE22 GLN A 254 2.497 3.175 -15.470 1.00 2.21 H new ATOM 775 N MET A 255 1.499 4.641 -9.035 1.00 0.59 N ATOM 776 CA MET A 255 1.081 5.670 -8.101 1.00 0.61 C ATOM 777 C MET A 255 0.449 6.822 -8.866 1.00 0.65 C ATOM 778 O MET A 255 0.808 7.083 -10.018 1.00 0.95 O ATOM 779 CB MET A 255 2.262 6.161 -7.254 1.00 0.95 C ATOM 780 CG MET A 255 3.350 6.857 -8.054 1.00 1.58 C ATOM 781 SD MET A 255 4.730 7.393 -7.026 1.00 2.30 S ATOM 782 CE MET A 255 5.632 8.409 -8.190 1.00 2.61 C ATOM 0 H MET A 255 1.741 4.987 -9.963 1.00 0.59 H new ATOM 0 HA MET A 255 0.344 5.247 -7.419 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.890 6.847 -6.493 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.698 5.311 -6.730 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.718 6.181 -8.826 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.924 7.721 -8.564 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.403 8.970 -7.662 1.00 2.61 H new ATOM 0 HE2 MET A 255 6.098 7.773 -8.943 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.946 9.103 -8.675 1.00 2.61 H new ATOM 792 N SER A 256 -0.588 7.402 -8.291 1.00 0.57 N ATOM 793 CA SER A 256 -1.370 8.427 -8.963 1.00 0.69 C ATOM 794 C SER A 256 -2.021 9.354 -7.946 1.00 1.00 C ATOM 795 O SER A 256 -2.145 9.011 -6.772 1.00 1.47 O ATOM 796 CB SER A 256 -2.449 7.783 -9.836 1.00 0.76 C ATOM 797 OG SER A 256 -1.877 6.931 -10.818 1.00 1.64 O ATOM 0 H SER A 256 -0.912 7.179 -7.350 1.00 0.57 H new ATOM 0 HA SER A 256 -0.699 9.010 -9.594 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.134 7.211 -9.209 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.037 8.560 -10.324 1.00 0.76 H new ATOM 0 HG SER A 256 -2.589 6.532 -11.360 1.00 1.64 H new ATOM 803 N GLY A 257 -2.398 10.541 -8.399 1.00 1.01 N ATOM 804 CA GLY A 257 -3.027 11.508 -7.523 1.00 1.41 C ATOM 805 C GLY A 257 -4.404 11.065 -7.068 1.00 1.28 C ATOM 806 O GLY A 257 -4.852 11.435 -5.985 1.00 1.69 O ATOM 0 H GLY A 257 -2.279 10.853 -9.363 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -2.394 11.670 -6.651 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.108 12.464 -8.040 1.00 1.41 H new ATOM 810 N SER A 258 -5.101 10.321 -7.919 1.00 1.07 N ATOM 811 CA SER A 258 -6.444 9.853 -7.605 1.00 0.96 C ATOM 812 C SER A 258 -6.407 8.616 -6.704 1.00 0.74 C ATOM 813 O SER A 258 -6.799 8.672 -5.538 1.00 1.14 O ATOM 814 CB SER A 258 -7.194 9.551 -8.900 1.00 1.08 C ATOM 815 OG SER A 258 -6.352 8.883 -9.827 1.00 1.77 O ATOM 0 H SER A 258 -4.757 10.029 -8.834 1.00 1.07 H new ATOM 0 HA SER A 258 -6.966 10.639 -7.059 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.067 8.934 -8.685 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.560 10.479 -9.338 1.00 1.08 H new ATOM 0 HG SER A 258 -6.853 8.697 -10.649 1.00 1.77 H new ATOM 821 N LYS A 259 -5.872 7.524 -7.230 1.00 0.51 N ATOM 822 CA LYS A 259 -5.712 6.289 -6.471 1.00 0.37 C ATOM 823 C LYS A 259 -4.231 5.947 -6.415 1.00 0.33 C ATOM 824 O LYS A 259 -3.467 6.473 -7.219 1.00 0.45 O ATOM 825 CB LYS A 259 -6.515 5.150 -7.122 1.00 0.48 C ATOM 826 CG LYS A 259 -7.992 5.479 -7.304 1.00 1.11 C ATOM 827 CD LYS A 259 -8.759 4.348 -7.977 1.00 1.59 C ATOM 828 CE LYS A 259 -8.959 3.162 -7.047 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.761 2.080 -7.682 1.00 2.41 N ATOM 0 H LYS A 259 -5.537 7.467 -8.192 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.094 6.421 -5.459 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.080 4.918 -8.094 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.423 4.254 -6.509 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.438 5.688 -6.332 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.089 6.386 -7.901 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -9.730 4.716 -8.309 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.220 4.024 -8.867 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.987 2.766 -6.751 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.458 3.496 -6.137 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.872 1.292 -7.013 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.698 2.449 -7.941 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.273 1.742 -8.536 1.00 2.41 H new ATOM 843 N TYR A 260 -3.815 5.102 -5.462 1.00 0.24 N ATOM 844 CA TYR A 260 -2.400 4.772 -5.298 1.00 0.27 C ATOM 845 C TYR A 260 -1.599 6.042 -5.003 1.00 0.27 C ATOM 846 O TYR A 260 -0.654 6.376 -5.713 1.00 0.29 O ATOM 847 CB TYR A 260 -1.842 4.076 -6.550 1.00 0.33 C ATOM 848 CG TYR A 260 -2.830 3.163 -7.240 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.545 2.206 -6.531 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.054 3.273 -8.605 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.455 1.385 -7.165 1.00 0.52 C ATOM 852 CE2 TYR A 260 -3.961 2.455 -9.247 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.659 1.514 -8.524 1.00 0.95 C ATOM 854 OH TYR A 260 -5.560 0.694 -9.162 1.00 1.24 O ATOM 0 H TYR A 260 -4.437 4.639 -4.799 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.307 4.083 -4.459 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.510 4.836 -7.258 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -0.963 3.496 -6.269 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.386 2.103 -5.468 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.509 4.011 -9.175 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.004 0.646 -6.601 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.122 2.552 -10.310 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.585 0.915 -10.116 1.00 1.24 H new ATOM 864 N ILE A 261 -2.042 6.790 -4.002 1.00 0.26 N ATOM 865 CA ILE A 261 -1.428 8.070 -3.666 1.00 0.27 C ATOM 866 C ILE A 261 -0.203 7.879 -2.772 1.00 0.28 C ATOM 867 O ILE A 261 -0.299 7.322 -1.688 1.00 0.35 O ATOM 868 CB ILE A 261 -2.440 8.974 -2.940 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.663 9.234 -3.822 1.00 0.32 C ATOM 870 CG2 ILE A 261 -1.792 10.279 -2.526 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.774 9.974 -3.107 1.00 0.39 C ATOM 0 H ILE A 261 -2.828 6.532 -3.405 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.115 8.539 -4.599 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.773 8.458 -2.039 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.356 9.810 -4.695 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.047 8.282 -4.187 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.525 10.903 -2.015 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -0.958 10.074 -1.855 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.426 10.800 -3.411 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.609 10.125 -3.791 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.108 9.389 -2.250 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.406 10.941 -2.765 1.00 0.39 H new ATOM 883 N PHE A 262 0.941 8.362 -3.213 1.00 0.30 N ATOM 884 CA PHE A 262 2.167 8.237 -2.435 1.00 0.32 C ATOM 885 C PHE A 262 2.312 9.384 -1.431 1.00 0.30 C ATOM 886 O PHE A 262 2.138 10.549 -1.786 1.00 0.37 O ATOM 887 CB PHE A 262 3.380 8.186 -3.375 1.00 0.46 C ATOM 888 CG PHE A 262 3.543 9.405 -4.248 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.772 9.567 -5.389 1.00 0.84 C ATOM 890 CD2 PHE A 262 4.463 10.388 -3.923 1.00 0.87 C ATOM 891 CE1 PHE A 262 2.918 10.684 -6.188 1.00 1.09 C ATOM 892 CE2 PHE A 262 4.613 11.508 -4.719 1.00 1.13 C ATOM 893 CZ PHE A 262 3.839 11.656 -5.853 1.00 1.18 C ATOM 0 H PHE A 262 1.052 8.845 -4.104 1.00 0.30 H new ATOM 0 HA PHE A 262 2.117 7.308 -1.867 1.00 0.32 H new ATOM 0 HB2 PHE A 262 4.283 8.059 -2.777 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.293 7.306 -4.013 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.049 8.811 -5.656 1.00 0.84 H new ATOM 0 HD2 PHE A 262 5.071 10.278 -3.037 1.00 0.87 H new ATOM 0 HE1 PHE A 262 2.312 10.797 -7.075 1.00 1.09 H new ATOM 0 HE2 PHE A 262 5.335 12.267 -4.454 1.00 1.13 H new ATOM 0 HZ PHE A 262 3.954 12.530 -6.476 1.00 1.18 H new ATOM 903 N GLU A 263 2.649 9.055 -0.185 1.00 0.26 N ATOM 904 CA GLU A 263 2.870 10.076 0.840 1.00 0.30 C ATOM 905 C GLU A 263 3.957 9.626 1.816 1.00 0.28 C ATOM 906 O GLU A 263 4.004 8.457 2.198 1.00 0.33 O ATOM 907 CB GLU A 263 1.575 10.373 1.600 1.00 0.37 C ATOM 908 CG GLU A 263 1.681 11.594 2.498 1.00 0.56 C ATOM 909 CD GLU A 263 0.395 11.929 3.218 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.540 11.099 3.212 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.316 13.028 3.808 1.00 1.73 O ATOM 0 H GLU A 263 2.775 8.096 0.139 1.00 0.26 H new ATOM 0 HA GLU A 263 3.197 10.989 0.343 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.767 10.524 0.885 1.00 0.37 H new ATOM 0 HB3 GLU A 263 1.308 9.506 2.204 1.00 0.37 H new ATOM 0 HG2 GLU A 263 2.467 11.426 3.234 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.985 12.451 1.897 1.00 0.56 H new ATOM 918 N SER A 264 4.878 10.525 2.144 1.00 0.34 N ATOM 919 CA SER A 264 6.003 10.187 3.008 1.00 0.36 C ATOM 920 C SER A 264 5.856 10.808 4.395 1.00 0.34 C ATOM 921 O SER A 264 5.683 12.021 4.531 1.00 0.39 O ATOM 922 CB SER A 264 7.308 10.655 2.360 1.00 0.46 C ATOM 923 OG SER A 264 7.206 11.998 1.915 1.00 1.41 O ATOM 0 H SER A 264 4.868 11.494 1.825 1.00 0.34 H new ATOM 0 HA SER A 264 6.020 9.104 3.131 1.00 0.36 H new ATOM 0 HB2 SER A 264 8.125 10.567 3.076 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.552 10.007 1.518 1.00 0.46 H new ATOM 0 HG SER A 264 6.688 12.519 2.564 1.00 1.41 H new ATOM 929 N ILE A 265 5.919 9.969 5.421 1.00 0.31 N ATOM 930 CA ILE A 265 5.807 10.420 6.803 1.00 0.34 C ATOM 931 C ILE A 265 7.012 9.943 7.617 1.00 0.38 C ATOM 932 O ILE A 265 7.019 8.818 8.123 1.00 0.42 O ATOM 933 CB ILE A 265 4.513 9.897 7.478 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.261 10.322 6.703 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.426 10.389 8.916 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.909 9.412 5.544 1.00 1.31 C ATOM 0 H ILE A 265 6.048 8.962 5.320 1.00 0.31 H new ATOM 0 HA ILE A 265 5.773 11.509 6.781 1.00 0.34 H new ATOM 0 HB ILE A 265 4.559 8.808 7.474 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.416 10.358 7.391 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.408 11.334 6.324 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.512 10.013 9.375 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.288 10.028 9.477 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.416 11.479 8.928 1.00 0.73 H new ATOM 0 HD11 ILE A 265 2.011 9.783 5.049 1.00 1.31 H new ATOM 0 HD12 ILE A 265 3.734 9.394 4.832 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.728 8.403 5.915 1.00 1.31 H new ATOM 948 N GLY A 266 8.026 10.796 7.737 1.00 0.48 N ATOM 949 CA GLY A 266 9.215 10.450 8.503 1.00 0.65 C ATOM 950 C GLY A 266 9.775 9.094 8.122 1.00 0.86 C ATOM 951 O GLY A 266 9.742 8.166 8.937 1.00 1.93 O ATOM 0 H GLY A 266 8.047 11.725 7.316 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.979 11.212 8.347 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.973 10.454 9.566 1.00 0.65 H new ATOM 955 N ALA A 267 10.088 8.942 6.832 1.00 0.48 N ATOM 956 CA ALA A 267 10.496 7.660 6.236 1.00 0.39 C ATOM 957 C ALA A 267 9.309 6.741 6.024 1.00 0.30 C ATOM 958 O ALA A 267 9.275 5.986 5.053 1.00 0.32 O ATOM 959 CB ALA A 267 11.541 6.934 7.062 1.00 0.44 C ATOM 0 H ALA A 267 10.066 9.711 6.163 1.00 0.48 H new ATOM 0 HA ALA A 267 10.938 7.914 5.273 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.803 5.995 6.574 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.431 7.557 7.152 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.141 6.727 8.055 1.00 0.44 H new ATOM 965 N LYS A 268 8.369 6.755 6.959 1.00 0.26 N ATOM 966 CA LYS A 268 7.217 5.889 6.863 1.00 0.25 C ATOM 967 C LYS A 268 6.363 6.306 5.684 1.00 0.29 C ATOM 968 O LYS A 268 5.776 7.384 5.663 1.00 0.47 O ATOM 969 CB LYS A 268 6.419 5.898 8.163 1.00 0.28 C ATOM 970 CG LYS A 268 7.174 5.268 9.321 1.00 0.30 C ATOM 971 CD LYS A 268 6.477 5.520 10.648 1.00 0.41 C ATOM 972 CE LYS A 268 6.454 7.000 10.992 1.00 1.20 C ATOM 973 NZ LYS A 268 7.825 7.573 11.073 1.00 2.00 N ATOM 0 H LYS A 268 8.386 7.354 7.784 1.00 0.26 H new ATOM 0 HA LYS A 268 7.554 4.865 6.700 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.162 6.926 8.419 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.481 5.363 8.012 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.265 4.194 9.155 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.186 5.672 9.359 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.456 5.140 10.602 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.987 4.969 11.439 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.879 7.539 10.239 1.00 1.20 H new ATOM 0 HE3 LYS A 268 5.944 7.143 11.945 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 7.790 8.489 11.564 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.443 6.922 11.598 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.202 7.709 10.113 1.00 2.00 H new ATOM 987 N ARG A 269 6.394 5.481 4.667 1.00 0.16 N ATOM 988 CA ARG A 269 5.713 5.763 3.433 1.00 0.16 C ATOM 989 C ARG A 269 4.274 5.284 3.493 1.00 0.18 C ATOM 990 O ARG A 269 3.952 4.337 4.202 1.00 0.17 O ATOM 991 CB ARG A 269 6.451 5.104 2.272 1.00 0.20 C ATOM 992 CG ARG A 269 5.816 5.370 0.927 1.00 0.53 C ATOM 993 CD ARG A 269 5.903 6.841 0.534 1.00 0.79 C ATOM 994 NE ARG A 269 7.284 7.306 0.388 1.00 0.69 N ATOM 995 CZ ARG A 269 7.624 8.452 -0.210 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.693 9.217 -0.768 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.895 8.836 -0.239 1.00 1.17 N ATOM 0 H ARG A 269 6.895 4.592 4.674 1.00 0.16 H new ATOM 0 HA ARG A 269 5.702 6.842 3.277 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.481 5.462 2.256 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.490 4.028 2.440 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.308 4.762 0.168 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.770 5.063 0.953 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.371 6.994 -0.405 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.398 7.445 1.288 1.00 0.79 H new ATOM 0 HE ARG A 269 8.030 6.721 0.765 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.714 8.931 -0.741 1.00 1.85 H new ATOM 0 HH12 ARG A 269 6.957 10.091 -1.223 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.613 8.256 0.195 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.153 9.711 -0.696 1.00 1.17 H new ATOM 1011 N THR A 270 3.397 6.002 2.832 1.00 0.18 N ATOM 1012 CA THR A 270 1.998 5.660 2.831 1.00 0.18 C ATOM 1013 C THR A 270 1.421 5.733 1.428 1.00 0.19 C ATOM 1014 O THR A 270 1.657 6.701 0.693 1.00 0.22 O ATOM 1015 CB THR A 270 1.209 6.590 3.774 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.622 6.372 5.131 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.287 6.364 3.648 1.00 0.24 C ATOM 0 H THR A 270 3.631 6.831 2.286 1.00 0.18 H new ATOM 0 HA THR A 270 1.906 4.635 3.190 1.00 0.18 H new ATOM 0 HB THR A 270 1.421 7.620 3.488 1.00 0.20 H new ATOM 0 HG1 THR A 270 0.935 5.857 5.603 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.815 7.035 4.326 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.600 6.564 2.623 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.522 5.331 3.904 1.00 0.24 H new ATOM 1025 N LEU A 271 0.676 4.697 1.073 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.001 4.639 -0.207 1.00 0.17 C ATOM 1027 C LEU A 271 -1.490 4.871 0.015 1.00 0.16 C ATOM 1028 O LEU A 271 -2.214 3.959 0.391 1.00 0.17 O ATOM 1029 CB LEU A 271 0.239 3.262 -0.837 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.105 3.101 -2.323 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.596 2.889 -2.530 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.394 4.299 -3.110 1.00 0.49 C ATOM 0 H LEU A 271 0.526 3.878 1.663 1.00 0.17 H new ATOM 0 HA LEU A 271 0.384 5.406 -0.879 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.291 3.009 -0.704 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.339 2.528 -0.275 1.00 0.20 H new ATOM 0 HG LEU A 271 0.400 2.209 -2.694 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -1.804 2.779 -3.594 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -1.912 1.988 -2.004 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.143 3.748 -2.141 1.00 0.56 H new ATOM 0 HD21 LEU A 271 0.144 4.172 -4.163 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.078 5.205 -2.731 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.476 4.381 -3.002 1.00 0.49 H new ATOM 1044 N THR A 272 -1.951 6.077 -0.216 1.00 0.18 N ATOM 1045 CA THR A 272 -3.348 6.388 -0.018 1.00 0.21 C ATOM 1046 C THR A 272 -4.176 5.897 -1.198 1.00 0.22 C ATOM 1047 O THR A 272 -4.047 6.380 -2.325 1.00 0.29 O ATOM 1048 CB THR A 272 -3.558 7.898 0.195 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.649 8.375 1.197 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.985 8.189 0.632 1.00 0.30 C ATOM 0 H THR A 272 -1.381 6.858 -0.541 1.00 0.18 H new ATOM 0 HA THR A 272 -3.682 5.872 0.882 1.00 0.21 H new ATOM 0 HB THR A 272 -3.370 8.408 -0.750 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.783 9.337 1.330 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.110 9.262 0.776 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.678 7.843 -0.135 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.192 7.671 1.568 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.007 4.912 -0.936 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.873 4.360 -1.950 1.00 0.26 C ATOM 1060 C ILE A 273 -7.270 4.955 -1.799 1.00 0.28 C ATOM 1061 O ILE A 273 -7.878 4.914 -0.722 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.886 2.799 -1.907 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.485 2.235 -3.273 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.238 2.226 -1.483 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.467 2.555 -4.378 1.00 0.86 C ATOM 0 H ILE A 273 -5.100 4.475 -0.019 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.489 4.630 -2.934 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.162 2.497 -1.150 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.506 2.629 -3.545 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.383 1.153 -3.193 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.184 1.137 -1.472 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.490 2.587 -0.486 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.005 2.544 -2.188 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.115 2.122 -5.314 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.443 2.137 -4.130 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.552 3.636 -4.487 1.00 0.86 H new ATOM 1077 N SER A 274 -7.699 5.644 -2.841 1.00 0.33 N ATOM 1078 CA SER A 274 -8.974 6.327 -2.829 1.00 0.39 C ATOM 1079 C SER A 274 -10.042 5.447 -3.425 1.00 0.45 C ATOM 1080 O SER A 274 -9.803 4.788 -4.435 1.00 0.50 O ATOM 1081 CB SER A 274 -8.896 7.624 -3.628 1.00 0.52 C ATOM 1082 OG SER A 274 -7.920 8.502 -3.083 1.00 1.13 O ATOM 0 H SER A 274 -7.176 5.744 -3.711 1.00 0.33 H new ATOM 0 HA SER A 274 -9.224 6.557 -1.793 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.650 7.401 -4.666 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.870 8.113 -3.629 1.00 0.52 H new ATOM 0 HG SER A 274 -7.296 8.775 -3.787 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.249 5.567 -2.887 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.411 4.918 -3.468 1.00 0.62 C ATOM 1090 C GLN A 275 -12.195 3.416 -3.527 1.00 0.62 C ATOM 1091 O GLN A 275 -11.822 2.844 -4.552 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.695 5.519 -4.843 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.319 6.913 -4.789 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.992 7.716 -3.540 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -11.913 8.298 -3.423 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -13.913 7.735 -2.589 1.00 2.27 N ATOM 0 H GLN A 275 -11.446 6.110 -2.046 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.287 5.090 -2.843 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.763 5.570 -5.407 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.363 4.853 -5.390 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -12.989 7.476 -5.662 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -14.402 6.813 -4.865 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.795 7.240 -2.723 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.741 8.244 -1.722 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.345 2.823 -2.369 1.00 0.60 N ATOM 1106 CA CYS A 276 -12.090 1.434 -2.135 1.00 0.69 C ATOM 1107 C CYS A 276 -12.790 1.116 -0.854 1.00 0.75 C ATOM 1108 O CYS A 276 -12.685 1.876 0.112 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.582 1.179 -2.013 1.00 0.80 C ATOM 1110 SG CYS A 276 -10.140 -0.412 -1.282 1.00 2.00 S ATOM 0 H CYS A 276 -12.660 3.319 -1.535 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.446 0.808 -2.954 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.135 1.244 -3.005 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.141 1.974 -1.412 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.595 -1.169 -2.187 1.00 2.00 H new ATOM 1116 N SER A 277 -13.741 0.239 -0.941 1.00 0.54 N ATOM 1117 CA SER A 277 -14.619 0.042 0.165 1.00 0.52 C ATOM 1118 C SER A 277 -15.083 -1.405 0.201 1.00 0.48 C ATOM 1119 O SER A 277 -14.289 -2.308 -0.072 1.00 0.47 O ATOM 1120 CB SER A 277 -15.800 1.004 0.064 1.00 0.56 C ATOM 1121 OG SER A 277 -16.425 0.921 -1.204 1.00 0.63 O ATOM 0 H SER A 277 -13.927 -0.345 -1.757 1.00 0.54 H new ATOM 0 HA SER A 277 -14.092 0.251 1.096 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.525 0.776 0.845 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.457 2.024 0.236 1.00 0.56 H new ATOM 0 HG SER A 277 -17.178 1.547 -1.239 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.362 -1.624 0.501 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.918 -2.971 0.588 1.00 0.54 C ATOM 1129 C LEU A 278 -17.048 -3.623 -0.794 1.00 0.58 C ATOM 1130 O LEU A 278 -18.103 -4.150 -1.144 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.285 -2.944 1.279 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.286 -3.361 2.753 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.858 -4.814 2.902 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.379 -2.457 3.571 1.00 0.79 C ATOM 0 H LEU A 278 -17.035 -0.881 0.689 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.225 -3.569 1.180 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.691 -1.935 1.204 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.962 -3.601 0.733 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.304 -3.260 3.130 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.866 -5.089 3.957 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.549 -5.455 2.355 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.852 -4.940 2.502 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.396 -2.772 4.614 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.360 -2.522 3.189 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.729 -1.427 3.498 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.973 -3.578 -1.570 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.946 -4.159 -2.903 1.00 0.61 C ATOM 1148 C ALA A 279 -14.510 -4.359 -3.371 1.00 0.58 C ATOM 1149 O ALA A 279 -14.171 -5.416 -3.900 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.704 -3.286 -3.891 1.00 0.71 C ATOM 0 H ALA A 279 -15.096 -3.137 -1.292 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.437 -5.131 -2.857 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.669 -3.742 -4.880 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.742 -3.191 -3.571 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -16.245 -2.298 -3.930 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.665 -3.339 -3.192 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.271 -3.432 -3.623 1.00 0.59 C ATOM 1158 C ASP A 280 -11.469 -4.348 -2.693 1.00 0.50 C ATOM 1159 O ASP A 280 -10.353 -4.753 -3.023 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.633 -2.048 -3.687 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.294 -2.061 -4.399 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.261 -2.359 -5.615 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -9.270 -1.769 -3.753 1.00 1.84 O ATOM 0 H ASP A 280 -13.919 -2.452 -2.758 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.257 -3.866 -4.623 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -12.308 -1.363 -4.201 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.500 -1.665 -2.675 1.00 0.70 H new ATOM 1168 N ASP A 281 -12.089 -4.706 -1.560 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.527 -5.650 -0.583 1.00 0.33 C ATOM 1170 C ASP A 281 -10.841 -6.816 -1.292 1.00 0.34 C ATOM 1171 O ASP A 281 -11.441 -7.469 -2.150 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.662 -6.167 0.319 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.224 -7.197 1.347 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.764 -8.286 0.939 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -12.295 -6.912 2.562 1.00 1.12 O ATOM 0 H ASP A 281 -13.005 -4.345 -1.293 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.778 -5.140 0.023 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.111 -5.321 0.839 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.438 -6.605 -0.309 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.556 -6.998 -1.006 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.742 -7.980 -1.717 1.00 0.37 C ATOM 1182 C ALA A 282 -7.371 -8.113 -1.065 1.00 0.35 C ATOM 1183 O ALA A 282 -7.276 -8.448 0.110 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.602 -7.586 -3.182 1.00 0.48 C ATOM 0 H ALA A 282 -9.054 -6.478 -0.286 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.240 -8.948 -1.663 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.993 -8.326 -3.701 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.589 -7.541 -3.642 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.124 -6.609 -3.252 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.313 -7.819 -1.817 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.963 -7.807 -1.271 1.00 0.17 C ATOM 1192 C ALA A 283 -4.105 -6.812 -2.034 1.00 0.15 C ATOM 1193 O ALA A 283 -4.085 -6.837 -3.265 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.341 -9.196 -1.317 1.00 0.22 C ATOM 0 H ALA A 283 -6.368 -7.586 -2.808 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.016 -7.501 -0.226 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.333 -9.157 -0.903 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.948 -9.886 -0.731 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.296 -9.540 -2.350 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.349 -5.987 -1.317 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.414 -5.070 -1.962 1.00 0.13 C ATOM 1202 C TYR A 284 -0.989 -5.343 -1.483 1.00 0.14 C ATOM 1203 O TYR A 284 -0.641 -5.078 -0.340 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.773 -3.580 -1.726 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.917 -3.043 -2.584 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.993 -3.865 -2.965 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -3.939 -1.720 -3.003 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.030 -3.368 -3.731 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -4.978 -1.226 -3.766 1.00 0.32 C ATOM 1210 CZ TYR A 284 -5.993 -2.075 -4.172 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.053 -1.557 -4.880 1.00 0.41 O ATOM 0 H TYR A 284 -3.364 -5.934 -0.299 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.486 -5.252 -3.034 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.034 -3.448 -0.676 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.886 -2.975 -1.912 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.009 -4.899 -2.654 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.127 -1.064 -2.727 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.869 -4.001 -3.981 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -4.999 -0.183 -4.045 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.790 -1.357 -4.266 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.144 -5.762 -2.411 1.00 0.13 N ATOM 1222 CA GLN A 285 1.269 -5.928 -2.153 1.00 0.13 C ATOM 1223 C GLN A 285 1.969 -4.575 -2.237 1.00 0.12 C ATOM 1224 O GLN A 285 1.396 -3.604 -2.722 1.00 0.13 O ATOM 1225 CB GLN A 285 1.911 -6.898 -3.156 1.00 0.12 C ATOM 1226 CG GLN A 285 1.301 -8.288 -3.173 1.00 0.15 C ATOM 1227 CD GLN A 285 0.140 -8.430 -4.137 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.105 -7.411 -4.942 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.514 -9.465 -4.177 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.423 -5.996 -3.364 1.00 0.13 H new ATOM 0 HA GLN A 285 1.382 -6.346 -1.153 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.834 -6.470 -4.155 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.973 -6.985 -2.928 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.073 -9.011 -3.438 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.961 -8.539 -2.168 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.296 -10.231 -3.540 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.277 -9.561 -4.848 1.00 0.18 H new ATOM 1238 N CYS A 286 3.188 -4.508 -1.735 1.00 0.14 N ATOM 1239 CA CYS A 286 3.933 -3.253 -1.723 1.00 0.19 C ATOM 1240 C CYS A 286 5.270 -3.406 -2.386 1.00 0.19 C ATOM 1241 O CYS A 286 5.838 -4.491 -2.360 1.00 0.20 O ATOM 1242 CB CYS A 286 4.133 -2.800 -0.319 1.00 0.28 C ATOM 1243 SG CYS A 286 5.120 -3.917 0.705 1.00 1.00 S ATOM 0 H CYS A 286 3.686 -5.301 -1.331 1.00 0.14 H new ATOM 0 HA CYS A 286 3.354 -2.514 -2.277 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.614 -1.822 -0.333 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.157 -2.669 0.148 1.00 0.28 H new ATOM 0 HG CYS A 286 5.782 -4.735 -0.059 1.00 1.00 H new ATOM 1249 N VAL A 287 5.642 -2.419 -3.192 1.00 0.20 N ATOM 1250 CA VAL A 287 6.739 -2.639 -4.101 1.00 0.21 C ATOM 1251 C VAL A 287 7.626 -1.408 -4.328 1.00 0.22 C ATOM 1252 O VAL A 287 7.173 -0.280 -4.562 1.00 0.24 O ATOM 1253 CB VAL A 287 6.193 -3.221 -5.442 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.690 -3.490 -5.324 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.483 -2.317 -6.636 1.00 0.27 C ATOM 0 H VAL A 287 5.214 -1.494 -3.230 1.00 0.20 H new ATOM 0 HA VAL A 287 7.403 -3.365 -3.631 1.00 0.21 H new ATOM 0 HB VAL A 287 6.717 -4.159 -5.624 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.318 -3.896 -6.265 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.511 -4.207 -4.523 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.170 -2.558 -5.100 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.081 -2.771 -7.542 1.00 0.27 H new ATOM 0 HG22 VAL A 287 6.015 -1.345 -6.479 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.560 -2.188 -6.742 1.00 0.27 H new ATOM 1265 N VAL A 288 8.916 -1.661 -4.306 1.00 0.24 N ATOM 1266 CA VAL A 288 9.898 -0.648 -4.611 1.00 0.26 C ATOM 1267 C VAL A 288 10.853 -1.187 -5.664 1.00 0.33 C ATOM 1268 O VAL A 288 11.484 -2.226 -5.462 1.00 0.37 O ATOM 1269 CB VAL A 288 10.671 -0.223 -3.350 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.937 0.514 -3.719 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.805 0.654 -2.469 1.00 0.36 C ATOM 0 H VAL A 288 9.312 -2.573 -4.077 1.00 0.24 H new ATOM 0 HA VAL A 288 9.388 0.236 -4.994 1.00 0.26 H new ATOM 0 HB VAL A 288 10.940 -1.125 -2.800 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.467 0.804 -2.812 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.574 -0.135 -4.319 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.685 1.406 -4.293 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.367 0.946 -1.582 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.510 1.546 -3.021 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.914 0.102 -2.169 1.00 0.36 H new ATOM 1281 N GLY A 289 10.845 -0.556 -6.830 1.00 0.43 N ATOM 1282 CA GLY A 289 11.634 -1.034 -7.952 1.00 0.57 C ATOM 1283 C GLY A 289 11.004 -2.229 -8.644 1.00 0.73 C ATOM 1284 O GLY A 289 10.823 -2.226 -9.862 1.00 1.51 O ATOM 0 H GLY A 289 10.302 0.286 -7.021 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.759 -0.226 -8.673 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.630 -1.306 -7.601 1.00 0.57 H new ATOM 1288 N GLY A 290 10.631 -3.230 -7.864 1.00 0.41 N ATOM 1289 CA GLY A 290 10.008 -4.421 -8.406 1.00 0.41 C ATOM 1290 C GLY A 290 9.546 -5.361 -7.314 1.00 0.37 C ATOM 1291 O GLY A 290 8.547 -6.060 -7.466 1.00 0.64 O ATOM 0 H GLY A 290 10.750 -3.239 -6.851 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.157 -4.136 -9.025 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.715 -4.938 -9.055 1.00 0.41 H new ATOM 1295 N GLU A 291 10.304 -5.396 -6.224 1.00 0.27 N ATOM 1296 CA GLU A 291 10.023 -6.278 -5.098 1.00 0.22 C ATOM 1297 C GLU A 291 8.655 -5.982 -4.499 1.00 0.16 C ATOM 1298 O GLU A 291 8.366 -4.842 -4.183 1.00 0.19 O ATOM 1299 CB GLU A 291 11.103 -6.085 -4.024 1.00 0.26 C ATOM 1300 CG GLU A 291 12.370 -6.878 -4.280 1.00 0.53 C ATOM 1301 CD GLU A 291 13.215 -6.314 -5.407 1.00 1.48 C ATOM 1302 OE1 GLU A 291 12.923 -5.198 -5.887 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.192 -6.979 -5.805 1.00 2.11 O ATOM 0 H GLU A 291 11.131 -4.813 -6.096 1.00 0.27 H new ATOM 0 HA GLU A 291 10.026 -7.308 -5.455 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.355 -5.026 -3.961 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.695 -6.373 -3.055 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.965 -6.903 -3.367 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.104 -7.908 -4.516 1.00 0.53 H new ATOM 1310 N LYS A 292 7.827 -7.010 -4.342 1.00 0.18 N ATOM 1311 CA LYS A 292 6.494 -6.844 -3.769 1.00 0.16 C ATOM 1312 C LYS A 292 6.309 -7.695 -2.511 1.00 0.17 C ATOM 1313 O LYS A 292 6.666 -8.872 -2.489 1.00 0.29 O ATOM 1314 CB LYS A 292 5.416 -7.173 -4.803 1.00 0.18 C ATOM 1315 CG LYS A 292 5.647 -8.458 -5.578 1.00 0.23 C ATOM 1316 CD LYS A 292 4.566 -8.643 -6.627 1.00 0.29 C ATOM 1317 CE LYS A 292 4.932 -9.709 -7.651 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.993 -11.075 -7.063 1.00 1.33 N ATOM 0 H LYS A 292 8.055 -7.969 -4.604 1.00 0.18 H new ATOM 0 HA LYS A 292 6.391 -5.799 -3.478 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.454 -7.240 -4.295 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.347 -6.346 -5.510 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.626 -8.431 -6.056 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.649 -9.307 -4.895 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.631 -8.918 -6.138 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.392 -7.696 -7.138 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.200 -9.698 -8.458 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.898 -9.465 -8.094 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.246 -11.761 -7.803 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 5.711 -11.097 -6.311 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.065 -11.323 -6.664 1.00 1.33 H new ATOM 1332 N CYS A 293 5.656 -7.113 -1.507 1.00 0.16 N ATOM 1333 CA CYS A 293 5.250 -7.848 -0.313 1.00 0.18 C ATOM 1334 C CYS A 293 3.752 -7.884 -0.282 1.00 0.15 C ATOM 1335 O CYS A 293 3.122 -6.842 -0.408 1.00 0.14 O ATOM 1336 CB CYS A 293 5.697 -7.182 0.978 1.00 0.28 C ATOM 1337 SG CYS A 293 5.445 -8.216 2.445 1.00 1.55 S ATOM 0 H CYS A 293 5.396 -6.127 -1.498 1.00 0.16 H new ATOM 0 HA CYS A 293 5.709 -8.835 -0.369 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.754 -6.927 0.900 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.152 -6.247 1.104 1.00 0.28 H new ATOM 0 HG CYS A 293 5.853 -7.577 3.501 1.00 1.55 H new ATOM 1343 N SER A 294 3.180 -9.047 -0.087 1.00 0.17 N ATOM 1344 CA SER A 294 1.740 -9.168 -0.116 1.00 0.18 C ATOM 1345 C SER A 294 1.103 -8.756 1.204 1.00 0.17 C ATOM 1346 O SER A 294 1.620 -9.043 2.288 1.00 0.20 O ATOM 1347 CB SER A 294 1.342 -10.596 -0.492 1.00 0.27 C ATOM 1348 OG SER A 294 1.941 -11.538 0.383 1.00 0.61 O ATOM 0 H SER A 294 3.682 -9.917 0.092 1.00 0.17 H new ATOM 0 HA SER A 294 1.364 -8.482 -0.875 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.257 -10.697 -0.453 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.645 -10.804 -1.518 1.00 0.27 H new ATOM 0 HG SER A 294 1.670 -12.443 0.124 1.00 0.61 H new ATOM 1354 N THR A 295 -0.026 -8.079 1.096 1.00 0.17 N ATOM 1355 CA THR A 295 -0.791 -7.664 2.253 1.00 0.15 C ATOM 1356 C THR A 295 -2.274 -7.728 1.914 1.00 0.15 C ATOM 1357 O THR A 295 -2.689 -7.312 0.832 1.00 0.15 O ATOM 1358 CB THR A 295 -0.384 -6.241 2.728 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.083 -6.273 4.126 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.465 -5.200 2.480 1.00 0.20 C ATOM 0 H THR A 295 -0.436 -7.803 0.204 1.00 0.17 H new ATOM 0 HA THR A 295 -0.579 -8.342 3.080 1.00 0.15 H new ATOM 0 HB THR A 295 0.490 -5.950 2.145 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.355 -5.427 4.539 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.121 -4.228 2.833 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.678 -5.144 1.413 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.371 -5.481 3.017 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.047 -8.377 2.764 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.459 -8.564 2.490 1.00 0.15 C ATOM 1370 C GLU A 296 -5.209 -7.273 2.776 1.00 0.14 C ATOM 1371 O GLU A 296 -4.867 -6.529 3.698 1.00 0.19 O ATOM 1372 CB GLU A 296 -5.010 -9.719 3.319 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.100 -10.935 3.308 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.643 -12.099 4.115 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.776 -11.994 4.631 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -3.942 -13.126 4.250 1.00 0.96 O ATOM 0 H GLU A 296 -2.724 -8.781 3.643 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.595 -8.816 1.438 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.153 -9.387 4.347 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.991 -10.001 2.935 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.947 -11.256 2.278 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.124 -10.653 3.702 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.149 -6.951 1.913 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.883 -5.715 2.027 1.00 0.15 C ATOM 1385 C LEU A 297 -8.320 -5.986 2.436 1.00 0.15 C ATOM 1386 O LEU A 297 -9.146 -6.409 1.622 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.833 -4.953 0.702 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.441 -3.555 0.738 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.866 -2.768 1.907 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.169 -2.834 -0.573 1.00 0.29 C ATOM 0 H LEU A 297 -6.422 -7.534 1.122 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.421 -5.101 2.800 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.793 -4.872 0.386 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.352 -5.539 -0.056 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.520 -3.639 0.871 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.305 -1.771 1.925 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.095 -3.283 2.840 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.785 -2.686 1.794 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.607 -1.837 -0.537 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.093 -2.752 -0.727 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.612 -3.396 -1.396 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.600 -5.689 3.692 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.928 -5.816 4.267 1.00 0.19 C ATOM 1404 C PHE A 298 -10.575 -4.447 4.324 1.00 0.19 C ATOM 1405 O PHE A 298 -9.887 -3.442 4.475 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.862 -6.383 5.691 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.412 -7.815 5.791 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.230 -8.236 5.208 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.177 -8.736 6.484 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.818 -9.549 5.315 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.772 -10.050 6.594 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.591 -10.458 6.007 1.00 0.45 C ATOM 0 H PHE A 298 -7.901 -5.348 4.352 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.508 -6.496 3.643 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.185 -5.764 6.280 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.849 -6.297 6.145 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.623 -7.529 4.663 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.102 -8.423 6.944 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.892 -9.864 4.858 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.378 -10.759 7.139 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.273 -11.487 6.089 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.880 -4.387 4.203 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.558 -3.112 4.303 1.00 0.28 C ATOM 1424 C VAL A 299 -13.554 -3.088 5.460 1.00 0.32 C ATOM 1425 O VAL A 299 -14.298 -4.047 5.690 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.255 -2.723 2.988 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.218 -3.803 2.530 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.960 -1.386 3.144 1.00 0.35 C ATOM 0 H VAL A 299 -12.487 -5.190 4.038 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.786 -2.370 4.504 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.494 -2.623 2.214 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.693 -3.496 1.598 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.672 -4.733 2.370 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.981 -3.957 3.293 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.450 -1.121 2.207 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.706 -1.458 3.935 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.231 -0.618 3.402 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.569 -1.969 6.167 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.493 -1.738 7.256 1.00 0.41 C ATOM 1440 C LYS A 300 -15.490 -0.674 6.831 1.00 0.40 C ATOM 1441 O LYS A 300 -15.092 0.365 6.304 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.723 -1.254 8.483 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.525 -1.275 9.774 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.715 -0.715 10.931 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.306 0.724 10.670 1.00 2.32 C ATOM 1446 NZ LYS A 300 -12.396 1.244 11.720 1.00 3.03 N ATOM 0 H LYS A 300 -12.932 -1.191 5.996 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.017 -2.662 7.503 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.837 -1.876 8.610 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.376 -0.237 8.301 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.437 -0.691 9.649 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.829 -2.297 10.000 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -14.301 -0.768 11.848 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -12.826 -1.326 11.085 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -12.815 0.791 9.699 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -14.197 1.350 10.620 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -12.142 2.229 11.503 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -12.873 1.205 12.643 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -11.534 0.663 11.751 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.769 -0.915 7.070 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.791 0.066 6.740 1.00 0.57 C ATOM 1462 C GLU A 301 -17.614 1.313 7.606 1.00 0.65 C ATOM 1463 O GLU A 301 -17.931 1.243 8.813 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.190 -0.510 6.967 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.597 -1.559 5.953 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.977 -2.116 6.223 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.941 -1.325 6.266 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.111 -3.347 6.378 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.123 2.339 7.099 1.00 1.20 O ATOM 0 H GLU A 301 -17.123 -1.775 7.488 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.684 0.329 5.688 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.234 -0.947 7.964 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.915 0.304 6.943 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.573 -1.124 4.954 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.871 -2.372 5.964 1.00 0.66 H new